silyl 5-propyloctanoate

C11H24O2Si — CID 174709866

IUPACsilyl 5-propyloctanoate
SMILESCCCC(CCC)CCCC(=O)O[SiH3]
InChIInChI=1S/C11H24O2Si/c1-3-6-10(7-4-2)8-5-9-11(12)13-14/h10H,3-9H2,1-2,14H3
InChIKeyPBOACEJNHCLUBG-UHFFFAOYSA-N
MW216.40 g/mol
LogP2.20
Rot. Bonds8

About silyl 5-propyloctanoate

silyl 5-propyloctanoate (PubChem CID 174709866) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is silyl 5-propyloctanoate.

Molecular Properties

Compound Namesilyl 5-propyloctanoate
PubChem CID174709866
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Namesilyl 5-propyloctanoate
SMILESCCCC(CCC)CCCC(=O)O[SiH3]
InChIInChI=1S/C11H24O2Si/c1-3-6-10(7-4-2)8-5-9-11(12)13-14/h10H,3-9H2,1-2,14H3
InChIKeyPBOACEJNHCLUBG-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 18-propylhenicosanoate
CID 546011
magnesium bis(5-propyloctanoate)
CID 88756232
dimethyl 2,6-dipropyldecanedioate
CID 90334205
silyl 5,5-dipropyloctanoate
CID 123559367
octadecanoyl 18-octyltriacontanoate
CID 87077721
silyl 2-propylpentanoate
CID 123713518
bis(3-butylheptyl) hexanedioate
CID 170341681
5-butyl-12-propylheptadecan-8-one
CID 91303627
ethyl 6-pentylpentadecanoate
CID 86165388
disilyl 2-[6-(1,6-dioxo-1,6-disilyloxyhexan-2-yl)oxy-6-oxohexanoyl]oxyhexanedioate
CID 123145346
ethyl 5-ethylheptanoate
CID 57319942
sodium 6-propylnonanoate
CID 139616672

Frequently Asked Questions

What is the IUPAC name of silyl 5-propyloctanoate?
The IUPAC name of silyl 5-propyloctanoate (CID 174709866) is silyl 5-propyloctanoate.
What is the SMILES notation for silyl 5-propyloctanoate?
The canonical SMILES for silyl 5-propyloctanoate is CCCC(CCC)CCCC(=O)O[SiH3].
What is the InChIKey of silyl 5-propyloctanoate?
The InChIKey is PBOACEJNHCLUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-3-6-10(7-4-2)8-5-9-11(12)13-14/h10H,3-9H2,1-2,14H3.
What are the key properties of silyl 5-propyloctanoate?
silyl 5-propyloctanoate has a molecular weight of 216.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 5-propyloctanoate is sourced from PubChem (CID 174709866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).